LAMMPS (9 Nov 2016)
  using 1 OpenMP thread(s) per MPI task
# LJ particles
variable        T0 equal 300.0
variable        press equal 0.0

units           real
atom_style      full
pair_style      lj/cut 5.0

read_data       "lj.data"
  orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  500 atoms
  reading velocities ...
  500 velocities
  0 = max # of 1-2 neighbors
  0 = max # of 1-3 neighbors
  0 = max # of 1-4 neighbors
  1 = max # of special neighbors

thermo          10
thermo_style    custom step temp pe etotal press vol

timestep        1.0

fix             fxnvt all nvt temp ${T0} ${T0} 1000.0
fix             fxnvt all nvt temp 300 ${T0} 1000.0
fix             fxnvt all nvt temp 300 300 1000.0
fix             fxgREM all grem 400 -.01 -30000 fxnvt
run             1000
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.34276 Mbytes
Step Temp PotEng TotEng Press Volume 
       0    305.69499   -3177.6423   -2722.9442    883.58369    11950.115 
      10    312.30121   -3182.2257   -2717.7013    793.47811    11950.115 
      20    314.94553   -3186.4559   -2717.9983    738.74091    11950.115 
      30    312.22861   -3183.7638   -2719.3474    797.47978    11950.115 
      40    305.93987   -3180.7079   -2725.6455    881.30806    11950.115 
      50    300.42132   -3176.5828   -2729.7288    967.92042    11950.115 
      60    299.16487   -3174.1921   -2729.2071     1004.247    11950.115 
      70    301.65565   -3176.0891   -2727.3992    962.58134    11950.115 
      80    304.77334   -3178.2663    -2724.939     907.8946    11950.115 
      90    305.59929   -3178.9472   -2724.3914    879.91629    11950.115 
     100    303.79263   -3177.5103   -2725.6418    892.67631    11950.115 
     110    300.85863   -3175.4711   -2727.9667    923.44924    11950.115 
     120    298.69083   -3175.6415   -2731.3615    931.87518    11950.115 
     130    298.38415   -3176.3706   -2732.5468    928.88286    11950.115 
     140    299.99129   -3177.6935   -2731.4792    914.36783    11950.115 
     150    301.83869    -3178.121   -2729.1588    915.01407    11950.115 
     160    301.18834   -3177.3117   -2729.3169    947.45228    11950.115 
     170    296.99406   -3172.7363   -2730.9801    1042.6928    11950.115 
     180    291.25952   -3168.3407   -2735.1142    1144.5436    11950.115 
     190     287.1178   -3164.9847   -2737.9187    1223.4003    11950.115 
     200      286.552   -3165.2799   -2739.0555    1235.6703    11950.115 
     210    289.81033   -3167.8062   -2736.7353    1194.6672    11950.115 
     220    296.09616   -3171.7847   -2731.3641    1115.8799    11950.115 
     230    303.79176   -3176.2893   -2724.4221    1024.6471    11950.115 
     240     309.9273   -3180.9591   -2719.9657    945.55045    11950.115 
     250     312.0159   -3182.3307   -2718.2306    934.36956    11950.115 
     260    309.63264   -3181.0452   -2720.4901    986.77385    11950.115 
     270    304.38172    -3176.568   -2723.8233     1097.264    11950.115 
     280    298.64188   -3174.1384   -2729.9313    1186.2239    11950.115 
     290    294.76686   -3170.9562   -2732.5128     1264.247    11950.115 
     300    294.00805   -3169.8091   -2732.4944    1287.4001    11950.115 
     310    296.41801    -3172.834   -2731.9347    1229.5624    11950.115 
     320    301.38477   -3175.9514   -2727.6644    1140.8664    11950.115 
     330    307.86584   -3181.2442   -2723.3171    1007.1545    11950.115 
     340     314.7103   -3185.9891   -2717.8814    871.74528    11950.115 
     350    320.53954   -3187.8385   -2711.0602    776.85994    11950.115 
     360    323.49505   -3188.9927   -2707.8184    716.58062    11950.115 
     370    321.62077   -3187.1246   -2708.7381    731.01909    11950.115 
     380    314.39049   -3181.4931   -2713.8611    831.21057    11950.115 
     390    303.57079   -3174.1804   -2722.6419    978.62645    11950.115 
     400    293.42165   -3167.0452   -2730.6027    1122.3558    11950.115 
     410    288.46838   -3165.4071   -2736.3322    1171.8087    11950.115 
     420    290.30766   -3168.5988   -2736.7882    1122.5413    11950.115 
     430    296.34338   -3173.0824   -2732.2941    1030.2769    11950.115 
     440    301.92394   -3175.4307   -2726.3417    964.25387    11950.115 
     450    303.76745   -3176.9122   -2725.0811    934.49176    11950.115 
     460    301.72985   -3174.2821   -2725.4818    979.07605    11950.115 
     470    298.93736   -3173.0014   -2728.3548    1020.0482    11950.115 
     480    298.80912    -3172.803   -2728.3471    1036.6531    11950.115 
     490    302.72217   -3175.3764   -2725.1001    997.71146    11950.115 
     500    309.11393   -3179.3088   -2719.5253    925.81108    11950.115 
     510    314.37612   -3183.2961   -2715.6855    856.23748    11950.115 
     520    315.72767    -3183.547    -2713.926    847.70543    11950.115 
     530    313.34173   -3182.2695   -2716.1974    877.30842    11950.115 
     540    309.84312   -3178.9553   -2718.0871    936.69244    11950.115 
     550     308.3251   -3177.8582    -2719.248    963.93032    11950.115 
     560    308.79192   -3176.4834   -2717.1788    989.67643    11950.115 
     570    307.57194   -3175.8464   -2718.3565    1021.0494    11950.115 
     580     301.8035   -3173.1582   -2724.2483    1102.4893    11950.115 
     590    292.43425    -3165.751   -2730.7772    1254.7815    11950.115 
     600    283.62905   -3159.8987    -2738.022    1381.0608    11950.115 
     610    279.90122     -3157.49   -2741.1581    1431.0028    11950.115 
     620     283.4582    -3160.756   -2739.1334    1367.7385    11950.115 
     630    292.58866   -3166.3469   -2731.1435    1241.1194    11950.115 
     640    302.86585   -3173.4778   -2722.9878    1089.7342    11950.115 
     650    309.89252   -3179.4078   -2718.4662     972.6359    11950.115 
     660    312.19165   -3182.7754    -2718.414    916.62037    11950.115 
     670     311.2287   -3181.9102   -2718.9811    933.79804    11950.115 
     680    308.57852   -3180.7312   -2721.7441    969.24936    11950.115 
     690    304.71609   -3176.9196   -2723.6775    1040.2699    11950.115 
     700    300.31995   -3175.5245   -2728.8213     1082.845    11950.115 
     710    296.43537   -3173.0166   -2732.0915    1127.4487    11950.115 
     720    293.86692   -3172.1582   -2735.0535    1135.0215    11950.115 
     730    293.35611   -3170.9335   -2734.5885    1122.9143    11950.115 
     740    295.44861   -3172.9862   -2733.5288     1050.995    11950.115 
     750    299.82732   -3175.3467   -2729.3763    958.31462    11950.115 
     760    305.37987    -3178.216   -2723.9866     854.1946    11950.115 
     770    310.75394   -3182.8127   -2720.5898    737.72668    11950.115 
     780    314.81395   -3183.7905   -2715.5286    679.74198    11950.115 
     790    316.63339   -3185.8028   -2714.8346    638.48871    11950.115 
     800     315.2894   -3186.9345   -2717.9654    641.53256    11950.115 
     810    310.54289   -3183.7383   -2721.8293    728.51241    11950.115 
     820    303.31439   -3178.7897   -2727.6326    864.45674    11950.115 
     830    295.46125   -3175.5387   -2736.0625    997.72969    11950.115 
     840      288.802   -3169.6502   -2740.0791    1160.6622    11950.115 
     850    283.94785   -3165.8605   -2743.5096      1289.55    11950.115 
     860    280.17501   -3163.0381    -2746.299    1392.8854    11950.115 
     870     277.2456   -3159.8429   -2747.4611    1481.3899    11950.115 
     880    275.93123   -3158.3584   -2747.9316    1523.5374    11950.115 
     890     277.0215   -3159.2285     -2747.18    1506.1558    11950.115 
     900    280.96237    -3162.483   -2744.5728    1428.4183    11950.115 
     910    287.37962   -3167.6183   -2740.1628    1303.0268    11950.115 
     920    294.56731   -3171.6765   -2733.5299     1177.748    11950.115 
     930    300.63273   -3174.0842   -2726.9158    1078.7393    11950.115 
     940    304.10943   -3175.9847    -2723.645    1007.7154    11950.115 
     950    304.64845   -3176.6263   -2723.4848    976.37917    11950.115 
     960    303.36343   -3176.4694   -2725.2393    971.40749    11950.115 
     970    302.57138   -3177.5541   -2727.5021    954.01115    11950.115 
     980     304.2593   -3179.2101   -2726.6475    919.74949    11950.115 
     990    307.69959   -3180.9631   -2723.2833     874.9594    11950.115 
    1000     310.3971   -3181.9675   -2720.2753    842.81184    11950.115 
Loop time of 0.133894 on 4 procs for 1000 steps with 500 atoms

Performance: 645.285 ns/day, 0.037 hours/ns, 7468.580 timesteps/s
98.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.065271   | 0.071043   | 0.07818    |   1.9 | 53.06
Bond    | 5.6505e-05 | 6.5565e-05 | 7.7724e-05 |   0.1 |  0.05
Neigh   | 0.0011396  | 0.0012607  | 0.0013669  |   0.2 |  0.94
Comm    | 0.033866   | 0.040269   | 0.045386   |   2.6 | 30.08
Output  | 0.0019252  | 0.0020776  | 0.0023642  |   0.4 |  1.55
Modify  | 0.012141   | 0.013629   | 0.01486    |   0.9 | 10.18
Other   |            | 0.005549   |            |       |  4.14

Nlocal:    125 ave 127 max 123 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost:    871.25 ave 882 max 863 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs:    3691.75 ave 3808 max 3563 min
Histogram: 1 0 0 0 1 0 1 0 0 1

Total # of neighbors = 14767
Ave neighs/atom = 29.534
Ave special neighs/atom = 0
Neighbor list builds = 5
Dangerous builds = 0

#write_data      lj-out.data
Total wall time: 0:00:00
